D-ILE-PRO-ARG P-NITROANILIDE DIHYDROCHLORIDE CAS#: 96323-41-0; ChemWhat Code: 1324771

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameD-ILE-PRO-ARG P-NITROANILIDE DIHYDROCHLORIDE
IUPAC Name(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;dihydrochloride
Molecular StructureD-ILE-PRO-ARG-P-NITROANILIDE-DIHYDROCHLORIDE-CAS-96323-41-0
CAS Registry Number 96323-41-0
SynonymsD-Ile-Pro-Arg p-nitroanilide dihydrochloride
96323-41-0
(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;dihydrochloride
D-Ile-pro-arg p-nitroanilide*dihydrochlo ride
SCHEMBL6673589
DTXSID20595347
NAANFMDBMZZFRD-CYTOJJGESA-N
HY-137837
D-Ile-Pro-Arg p-nitroanilide (dihydrochloride)
D-Ile-Pro-Arg p-nitroanilide dihydrochloride, >=95% (HPLC)
D-Isoleucyl-L-prolyl-N~5~-(diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide–hydrogen chloride (1/2)
Molecular FormulaC23H38Cl2N8O5
Molecular Weight577.5
InChIInChI=1S/C23H36N8O5.2ClH/c1-3-14(2)19(24)22(34)30-13-5-7-18(30)21(33)29-17(6-4-12-27-23(25)26)20(32)28-15-8-10-16(11-9-15)31(35)36;;/h8-11,14,17-19H,3-7,12-13,24H2,1-2H3,(H,28,32)(H,29,33)(H4,25,26,27);2*1H/t14-,17+,18+,19-;;/m1../s1
InChI KeyNAANFMDBMZZFRD-CYTOJJGESA-N
SMILESCC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N.Cl.Cl

Physical Data

AppearanceCrystalline solid

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)exclamation-markhealth-hazard
SignalWarning
GHS Hazard StatementsH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H361 (97.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement CodesP203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationLow temperature storage and transportation
StorageLow temperature storage and transportation
Shelf Life2 years
Druglikeness
Lipinski rules component
Molecular Weight577.511
logP1.847
HBA10
HBD6
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)212.25
Rotatable Bond (RotB)16
Matching Veber Rules0

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